The melting lines of model systems calculated from coexistence simulations

JR Morris, X Song - The Journal of chemical physics, 2002 - pubs.aip.org
We have performed large-scale molecular dynamics simulations of coexisting solid and
liquid phases using 4ε (σ/r) n interactions for n= 9 and n= 12, and for Lennard-Jones
systems, in order to calculate the equilibrium melting curve. The coexisting systems evolve
rapidly toward the melting temperature. The P–T melting curves agree well with previous
calculations, as do the other bulk phase properties. The melting curve for the Lennard-Jones
system, evaluated using various truncations of the potential, converges rapidly as a function …
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